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Substance Name: 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, ethyl ester, (Z,E)-(+-)-
RN: 15764-77-9
InChIKey: XCGJMMCHEDXHTP-GHYOLMRSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-O4

Molecular Weight

  • 292.3726
 
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Names and Synonyms

Synonym

  • Abscissic acid ethyl ester

Systematic Name

  • 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, ethyl ester, (Z,E)-(+-)-

Registry Numbers

CAS Registry Number

  • 15764-77-9

System Generated Number

  • 0015764779

Structure Descriptors

InChI

1S/C17H24O4/c1-6-21-15(19)9-12(2)7-8-17(20)13(3)10-14(18)11-16(17,4)5/h7-10,20H,6,11H2,1-5H3/b8-7+,12-9-

InChIKey

XCGJMMCHEDXHTP-GHYOLMRSSA-N

Smiles

CCOC(=O)\C=C(\C)/C=C/C1(O)C(=CC(=O)CC1(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 91, 1975.